LMPR02020071 LIPID_MAPS_STRUCTURE_DATABASE 62 65 0 0 0 999 V2000 8.4388 6.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0289 6.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 6.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 6.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 6.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 6.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 9.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 8.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3898 6.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3898 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2531 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5264 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6630 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7995 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9362 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9362 6.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0728 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2094 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3460 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4826 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4826 6.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6192 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7559 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8924 8.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0289 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8924 7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2531 9.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1165 7.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3830 5.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9730 4.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1097 5.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2463 4.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5195 4.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5195 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3830 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3830 2.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2463 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1097 3.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3340 4.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3340 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1972 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4705 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6072 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7437 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8803 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8803 4.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0170 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1535 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2902 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4268 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4268 4.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5633 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7001 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8365 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9730 3.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8365 4.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1972 2.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0607 3.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 5.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28 27 1 6 0 0 28 2 1 0 0 0 2 3 1 0 0 0 4 1 2 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 7 5 2 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 10 8 2 0 0 0 10 4 1 0 0 0 28 11 1 0 0 0 10 11 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 2 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 28 29 1 1 0 0 14 30 2 0 0 0 14 31 1 0 0 0 58 57 1 1 0 0 58 33 1 0 0 0 33 34 1 0 0 0 35 32 2 0 0 0 34 35 1 0 0 0 32 36 1 0 0 0 37 36 2 0 0 0 38 37 1 0 0 0 38 39 1 0 0 0 40 38 2 0 0 0 40 35 1 0 0 0 40 41 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 43 45 2 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 48 50 2 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 53 55 2 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 58 59 1 6 0 0 44 60 2 0 0 0 44 61 1 0 0 0 58 41 1 0 0 0 1 62 1 0 0 0 36 62 1 0 0 0 M END > LMPR02020071 > delta,delta-Bi-O-garcinoic acid > > C54H74O8 > 850.54 > Prenol Lipids [PR] > Quinones and hydroquinones [PR02] > Vitamin E [PR0202] > - > > TTXVKRPIKWUXMT-FDVAQWHMSA-N > InChI=1S/C54H74O8/c1-36(21-13-25-40(5)51(56)57)17-11-19-38(3)23-15-29-53(9)31-27-44-35-45(33-42(7)48(44)61-53)60-50-46-28-32-54(10,62-49(46)43(8)34-47(50)55)30-16-24-39(4)20-12-18-37(2)22-14-26-41(6)52(58)59/h17-18,23-26,33-35,55H,11-16,19-22,27-32H2,1-10H3,(H,56,57)(H,58,59)/b36-17+,37-18+,38-23+,39-24+,40-25+,41-26+/t53-,54-/m1/s1 > C1(OC2=CC(=C3O[C@@](C)(CCC3=C2)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C(O)=O)\C)C)C(=CC(=C2O[C@@](C)(CCC=12)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C(O)=O)\C)C)O > - > - > - > - > - > - > 162666467 > - > - > - > - > - > 469930 > 32644811 $$$$